SCHEMBL7030979

SCHEMBL7030979

CCC(=O)C(=O)OC(=O)C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
CES1 P23141 3/20 0.35
GLO1 Q04760 1/20 0.34
CA4 P22748 2/20 0.33
TSHR P16473 2/20 0.33
FFAR3 O14843 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SOAT1 P35610 1/20 0.32
THPO P40225 1/20 0.32
CES2 O00748 2/20 0.30
CA1 P00915 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5034136 0.88 ALDH1A1 (0.41) ALDH1A1TDP1CES1TSHRFFAR3
SCHEMBL274320 0.82 ALDH1A1 (0.47) ALDH1A1TDP1GLO1CA4TSHR
SCHEMBL351193 0.80 ALDH1A1 (0.50) ALDH1A1TDP1CES1GLO1TSHR
SCHEMBL10585514 0.78 ALDH1A1 (0.44) ALDH1A1TDP1GLO1CA4TSHR
SCHEMBL4946539 0.78 ALDH1A1 (0.44) ALDH1A1TDP1GLO1CA4TSHR
SCHEMBL3635705 0.78 ALDH1A1 (0.44) ALDH1A1TDP1GLO1CA4TSHR
SCHEMBL8843298 0.77 THRB (0.42) ALDH1A1TDP1CES1GLO1TSHR
SCHEMBL7530726 0.76 CES2 (0.55) ALDH1A1CES1TSHRFFAR3CES2
SCHEMBL1272326 0.75 ALDH1A1 (0.37) ALDH1A1CES1TSHR
SCHEMBL777608 0.74 ALDH1A1 (0.42) ALDH1A1TDP1CES1GLO1TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107231807-A Genetic modification phenylpyruvate decarboxylase, preparation method and use 陶氏环球技术有限责任公司 2017-10-03 CN disclosed
EP-1275729-A1 PROCESS FOR PRODUCING L-AMINO ACID VIA FERMENTATION METHOD KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-01-15 EP disclosed